1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine

C16H16BrClFN — CID 103039859

IUPAC1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16BrClFN/c1-20-14(8-11-3-2-4-13(17)7-11)9-12-5-6-16(19)15(18)10-12/h2-7,10,14,20H,8-9H2,1H3
InChIKeySOWMTFRKURAFMX-UHFFFAOYSA-N
MW356.67 g/mol
LogP4.61
Rot. Bonds5

About 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine

1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 103039859) has the molecular formula C16H16BrClFN and a molecular weight of 356.67 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID103039859
Molecular FormulaC16H16BrClFN
Molecular Weight356.67 g/mol
Exact Mass355.01
IUPAC Name1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1cccc(Br)c1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H16BrClFN/c1-20-14(8-11-3-2-4-13(17)7-11)9-12-5-6-16(19)15(18)10-12/h2-7,10,14,20H,8-9H2,1H3
InChIKeySOWMTFRKURAFMX-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-(3-chloro-2-fluorophenyl)-N-methylpropan-2-amine
CID 82806063
4-[2-[(3-bromophenyl)methyl]-3-chloropropyl]-2-chloro-1-fluorobenzene
CID 103042042
1-(3-bromophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 60819594
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 103039975
1-(3-chloro-4-fluorophenyl)-N-methylpentan-2-amine
CID 103039854
1-(3-chlorophenyl)-3-(4-chlorophenyl)-N-methylpropan-2-amine
CID 60820361
1-(3-bromophenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103038952
2-(3-bromophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55188147
1-(5-bromo-2-fluorophenyl)-3-(3-fluorophenyl)-N-methylpropan-2-amine
CID 62601970
2-(3-bromophenyl)-1-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 63418487
1-(3-chloro-4-fluorophenyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 103043196
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine (CID 103039859) is 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1cccc(Br)c1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is SOWMTFRKURAFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClFN/c1-20-14(8-11-3-2-4-13(17)7-11)9-12-5-6-16(19)15(18)10-12/h2-7,10,14,20H,8-9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine?
1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 356.67 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(3-chloro-4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 103039859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).